2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine

C19H19FN4O — CID 127250564

IUPAC2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine
SMILESFc1cccc(-c2cccc(C3CN(Cc4ncc[nH]4)CCO3)n2)c1
InChIInChI=1S/C19H19FN4O/c20-15-4-1-3-14(11-15)16-5-2-6-17(23-16)18-12-24(9-10-25-18)13-19-21-7-8-22-19/h1-8,11,18H,9-10,12-13H2,(H,21,22)
InChIKeyABYGPVWVZGQIIL-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.18
Rot. Bonds4

About 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine

2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine (PubChem CID 127250564) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine
PubChem CID127250564
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine
SMILESFc1cccc(-c2cccc(C3CN(Cc4ncc[nH]4)CCO3)n2)c1
InChIInChI=1S/C19H19FN4O/c20-15-4-1-3-14(11-15)16-5-2-6-17(23-16)18-12-24(9-10-25-18)13-19-21-7-8-22-19/h1-8,11,18H,9-10,12-13H2,(H,21,22)
InChIKeyABYGPVWVZGQIIL-UHFFFAOYSA-N
XLogP3.18
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The IUPAC name of 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine (CID 127250564) is 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine.
What is the SMILES notation for 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The canonical SMILES for 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine is Fc1cccc(-c2cccc(C3CN(Cc4ncc[nH]4)CCO3)n2)c1.
What is the InChIKey of 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine?
The InChIKey is ABYGPVWVZGQIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-15-4-1-3-14(11-15)16-5-2-6-17(23-16)18-12-24(9-10-25-18)13-19-21-7-8-22-19/h1-8,11,18H,9-10,12-13H2,(H,21,22).
What are the key properties of 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine?
2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine has a molecular weight of 338.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine is sourced from PubChem (CID 127250564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).